tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

C16H30N6O8 — CID 10478034

IUPACtert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NN
InChIInChI=1S/C16H30N6O8/c1-8(24)12(14(28)19-5-10(25)18-6-11(26)22-17)21-13(27)9(7-23)20-15(29)30-16(2,3)4/h8-9,12,23-24H,5-7,17H2,1-4H3,(H,18,25)(H,19,28)(H,20,29)(H,21,27)(H,22,26)/t8-,9+,12+/m1/s1
InChIKeyBDNDUOGUGMSVMT-PTRXPTGYSA-N
MW434.45 g/mol
LogP-4.04
Rot. Bonds10

About tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 10478034) has the molecular formula C16H30N6O8 and a molecular weight of 434.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID10478034
Molecular FormulaC16H30N6O8
Molecular Weight434.45 g/mol
Exact Mass434.21
IUPAC Nametert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NN
InChIInChI=1S/C16H30N6O8/c1-8(24)12(14(28)19-5-10(25)18-6-11(26)22-17)21-13(27)9(7-23)20-15(29)30-16(2,3)4/h8-9,12,23-24H,5-7,17H2,1-4H3,(H,18,25)(H,19,28)(H,20,29)(H,21,27)(H,22,26)/t8-,9+,12+/m1/s1
InChIKeyBDNDUOGUGMSVMT-PTRXPTGYSA-N
XLogP-4.04
TPSA221.21 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 5-4.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetic acid
CID 10007752
2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 102240889
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetyl]amino]acetyl]amino]acetic acid
CID 22025867
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325
methyl (2S,3S)-3-hydroxy-2-[[(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoate
CID 7032273
methyl (2R,3R)-3-hydroxy-2-[[(2R)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoate
CID 7072710
(2S)-4-hydrazinyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 130706545
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 10610298
tert-butyl (2S)-2-[[(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
CID 45380246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 10478034) is tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate is C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC(=O)NN.
What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is BDNDUOGUGMSVMT-PTRXPTGYSA-N. The full InChI is InChI=1S/C16H30N6O8/c1-8(24)12(14(28)19-5-10(25)18-6-11(26)22-17)21-13(27)9(7-23)20-15(29)30-16(2,3)4/h8-9,12,23-24H,5-7,17H2,1-4H3,(H,18,25)(H,19,28)(H,20,29)(H,21,27)(H,22,26)/t8-,9+,12+/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 434.45 g/mol, XLogP of -4.04, 10 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[(2S,3R)-1-[[2-[(2-hydrazinyl-2-oxoethyl)amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10478034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).